3-Amino-5-methoxypyrazole Hydrochloride - CAS 110884-53-2

Catalog:	BB002687
Product Name:	3-Amino-5-methoxypyrazole Hydrochloride
CAS:	110884-53-2
Synonyms:	3-methoxy-1H-pyrazol-5-amine;hydrochloride; 3-methoxy-1H-pyrazol-5-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methoxy-1H-pyrazol-5-amine;hydrochloride
Description:	3-Amino-5-methoxypyrazole Hydrochloride (CAS# 110884-53-2) is a useful research chemical.
Molecular Weight:	149.58
Molecular Formula:	C4H8ClN3O
Canonical SMILES:	COC1=NNC(=C1)N.Cl
InChI:	InChI=1S/C4H7N3O.ClH/c1-8-4-2-3(5)6-7-4;/h2H,1H3,(H3,5,6,7);1H
InChI Key:	DGQKDUCZHJKMGR-UHFFFAOYSA-N
LogP:	1.38370

Publication Number	Title	Priority Date
AU-2006307657-A1	4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer	20051028
AU-2006307657-B2	4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer	20051028
CA-2626375-A1	4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer	20051028
EP-1945631-A1	4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer	20051028
EP-1945631-B1	4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer	20051028

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Related Functional Groups

Amines and Anilines

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[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
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1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0355896
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	149.0355896
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0